tert-butyl 2-[methyl-[5-nitro-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-(2-thienylmethylamino)pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-(thiophen-2-ylmethylamino)-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-(2-thenylamino)pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CS2

InChI

InChI=1S/C16H21N5O4S/c1-16(2,3)25-12(22)9-20(4)15-13(21(23)24)14(18-10-19-15)17-8-11-6-5-7-26-11/h5-7,10H,8-9H2,1-4H3,(H,17,18,19)